Data quality metrics extracted from 34cy.cif.gz by aB_cif2table1 from BUSTER (Global Phasing Ltd.). See also the PDBx/mmCIF dictionary.

Raw JSON data
{
  "mxlims_type": "ReflectionSet",
  "version": "0.2.3",
  "uuid": "6b49c02e8fcef4a38f72cf6e2caad477",
  "space_group_name": "P 1",
  "unit_cell": {
    "a": 38.131,
    "b": 37.978,
    "c": 147.466,
    "alpha": 83.81,
    "beta": 87.82,
    "gamma": 76.90
  },
  "wavelengths": [0.96770],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [48.9,2.00],
    "number_observations_unique": 49940,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.297
      },
      {
        "type": "R(meas)",
        "value": 0.323
      },
      {
        "type": "R(pim)",
        "value": 0.123
      },
      {
        "type": "I/SigI",
        "value": 5.8
      },
      {
        "type": "Completeness",
        "value": 92.4
      },
      {
        "type": "Redundancy",
        "value": 7.4
      },
      {
        "type": "CC(1/2)",
        "value": 0.929
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.05,2.00],
      "number_observations": 28228,
      "number_observations_unique": 3674,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 2.453
        },
        {
          "type": "R(meas)",
          "value": 2.636
        },
        {
          "type": "R(pim)",
          "value": 0.957
        },
        {
          "type": "I/SigI",
          "value": 1.0
        },
        {
          "type": "Redundancy",
          "value": 7.7
        },
        {
          "type": "CC(1/2)",
          "value": 0.628
        }
      ]
    }
  ]

}
  

Table 1 generated from MXLIMS-JSON (via JavaScript):


Binned data generated from MXLIMS-JSON (via JavaScript):